1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride
TL;DR: 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride (CAS 16974-18-8) is a chemical compound with molecular formula C16H20ClNO2 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-5-(2-methylbutan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: 7-Methyl-5-tert-pentyl-1,3-dioxolo(4,5-g)isoquinoline hydrochloride, 1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 7-METHYL-5-tert-PENTYL-, HYDROCHLORIDE, 7-methyl-5-(2-methylbutan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride, RefChem:219040
| Molecular Formula | C16H20ClNO2 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 0.38 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.11826 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 16974-18-8 |
|---|---|
| SMILES | CCC(C)(C)C1=[NH+]C(=CC2=CC3=C(C=C21)OCO3)C.[Cl-] |
| InChIKey | RZFDOSLBCYWZTB-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride (CAS 16974-18-8), with molecular formula C16H20ClNO2 and molecular weight 293.12 g/mol. IUPAC: 7-methyl-5-(2-methylbutan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride.
Chemical Property Profile of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride
Property Insights of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride
The XLogP value of 0.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride. With a topological polar surface area (TPSA) of 32.6 Ų, 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride?
The CAS number of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride is 16974-18-8.
What is the molecular formula of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride?
The molecular formula of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride is C16H20ClNO2.
What is the molecular weight of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride?
The molecular weight of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride is 293.12 g/mol.
Where can I buy 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride?
You can request a quote for 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.